Compound Detail
CHEMBL139455
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL139455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMBARNSCCYBYAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.81
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 4.7 | 4.7 | 19800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 19800.0 | nM | 4.7 | Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-p... | 11784148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784148 | 10.1021/jm010992z | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine